Browsing by Author "Zapata Torres, Gerald Amilcar"

Now showing items 1-9 of 9

    • 1-benzyl-1,2,3,4-tetrahydroisoquinolines. H-1 NMR conformational studies and rotational barriers 
      Iturriaga-Vásquez, Patricio; Zapata Torres, Gerald Amilcar; Caroli Rezende, Marcos; Cassels Niven, Bruce (SOCIEDAD CHILENA DE QUIMICA, 2004-03)
      The conformational preferences of a series of 1-benzyl-1,2,3,4-tetrahydroisoquinolines (norlaudanosine and coclaurine analogues) were investigated with the aid of their H-1 NMR spectra and NOESY experiments, coupled with ...
    • 13C-NMR ano theoretical stuoies of internal rotation in methylateo anillnes 
      Zapata Torres, Gerald Amilcar; Parra Mouchet, Julia; Cassels Niven, Bruce (Socieda Chilena de Quìmica, 1997-08-01)
      The conformational properties of ten ring-methylated N-methyl- and N,Ndimethylanilines have been studied using 13C-NMR chemical shifts and spin-Iattice relaxation times in CDCI3, and semi-empírical (AM1) quantum-chemical ...
    • Effects of natural flavones and flavonols on the kinase activity of Cdk5 
      Zapata Torres, Gerald Amilcar; Opazo, Felipe; Salgado, J. Cristián; Muñoz Concha, Juan; Krautwurst, Hans; Mascayano, Carolina; Sepúlveda Boza, Silvia; Maccioni Baraona, Ricardo; Cassels Niven, Bruce (AMER CHEMICAL SOC, 2004-03)
      A number of natural and synthetic flavonoids have been assessed previously with regard to their effects on the activity of cyclin-dependent kinases (Cdk1 and -2) related to the inhibition of cell cycle progression. On the ...
    • Geometrical isomerism in beta-nitrostyrenes: Preferred conformations of (E)- and (Z)-1-(4-methylthiopheny ... 
      Hurtado Guzmán, Claudio; Iturriaga-Vásquez, Patricio; Cassels Niven, Bruce; Zapata Torres, Gerald Amilcar (SOCIEDAD CHILENA DE QUIMICA, 2004-09)
      Condensation of 4-methylthiobenzaldehyde with 1-nitropropane unexpectedly afforded separable amounts of both (E)- and (Z)-1-(4-methylthiophenyl)-2-nitrobutene. The H-1 and C-13 NMR spectra allowed the unequivocal assignment ...
    • Molecular Determinants for Competitive Inhibition of alpha 4 beta 2 Nicotinic Acetylcholine Receptors 
      Iturriaga-Vásquez, Patricio; Carbone, Annalisa; García Beltrán, Olimpo; Livingstone, Phil D.; Biggin, Philip C.; Cassels Niven, Bruce; Wonnacott, Susan; Zapata Torres, Gerald Amilcar; Bermúdez, Isabel (AMER SOC PHARMACOLOGY EXPERIMENTAL THERAPEUTICS, 2010-06-14)
      (DH E) are potent and selective competitive inhibitors of 4 2 nicotinic acetylcholine receptors (nAChRs), but little is known about the molecular determinants of the sensitivity of this receptor subtype to inhibition ...
    • Molecular modeling of the a9a10 nicotinic acetylcholine receptor subtype 
      Pérez, Edwin G.; Cassels Niven, Bruce; Zapata Torres, Gerald Amilcar (Elsevier Ltd., 2008-10-25)
      This study reports the comparative molecular modeling, docking and dynamic simulations of human a9a10 nicotinic acetylcholine receptors complexed with acetylcholine, nicotine and a-conotoxin RgIA, using as templates the ...
    • Structural elucidation of supramolecular alpha-cyclodextrin dimer/aliphatic monofunctional molecules complexes 
      Barrientos, L.; Lang, E.; Zapata Torres, Gerald Amilcar; Celis Barros, C.; Orellana, C.; Jara Vergara, Paul; Yutronic Sáez, Nicolás (Springer, 2013)
      The structural elucidation of 2α-cyclodextrin/ 1-octanethiol, 2α-cyclodextrin/1-octylamine and 2α- cyclodextrin/1-nonanoic acid inclusion complexes by nuclear magnetic resonance (NMR) spectroscopy and molecular modeling ...
    • Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives 
      Rodríguez Becerra, Jorge; Olea Azar, Claudio; Zapata Torres, Gerald Amilcar; Mendizábal Emaldía, Fernando; Gonzáles, Mercedez; Cerecetto, Hugo (SOC BRASILEIRA QUIMICA, 2010-07-01)
      Um estudo de DFT em derivados 5-NI foi realizado em diferentes níveis de teoria, a fim procurar a melhor metodologia para calcular constantes de acoplamento hiperfinas (hfccs), distribuições da densidade da rotação e ...
    • Theoretical study of the d(10)-d(8) interaction between Au(I) and Au(III) on the cis/trans-[PH3Au(I)C(L)= ... 
      Mendizábal Emaldía, Fernando; Zapata Torres, Gerald Amilcar; Olea Azar, Claudio (ELSEVIER, 2003-11-28)
      We have carried out an ab initio study designed to shed some light on the aurophilic attractions between Au(I) and Au(III) in the [PH3Au(I)C(L)=C(L)Au(III)(R)(2)PH3] (where R = -H, -CH3; L = -H, -CH3) model. Calculations ...